methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate

C11H17NO2 — CID 43756871

IUPACmethyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate
SMILESCOC(=O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H17NO2/c1-14-11(13)7-12-6-10-5-8-2-3-9(10)4-8/h2-3,8-10,12H,4-7H2,1H3
InChIKeyVSEUABTWMSUACV-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.96
Rot. Bonds4

About methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate

methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate (PubChem CID 43756871) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate
PubChem CID43756871
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate
SMILESCOC(=O)CNCC1CC2C=CC1C2
InChIInChI=1S/C11H17NO2/c1-14-11(13)7-12-6-10-5-8-2-3-9(10)4-8/h2-3,8-10,12H,4-7H2,1H3
InChIKeyVSEUABTWMSUACV-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate?
The IUPAC name of methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate (CID 43756871) is methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate.
What is the SMILES notation for methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate?
The canonical SMILES for methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate is COC(=O)CNCC1CC2C=CC1C2.
What is the InChIKey of methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate?
The InChIKey is VSEUABTWMSUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-11(13)7-12-6-10-5-8-2-3-9(10)4-8/h2-3,8-10,12H,4-7H2,1H3.
What are the key properties of methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate?
methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate has a molecular weight of 195.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)acetate is sourced from PubChem (CID 43756871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).